6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C23H23N9OS — CID 164920806

About 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920806) has the molecular formula C23H23N9OS and a molecular weight of 473.57 g/mol. Its IUPAC name is 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164920806
• Molecular Formula: C23H23N9OS
• Molecular Weight: 473.57 g/mol
• Exact Mass: 473.17
• IUPAC Name: 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1cnc(C(C)Oc2cc(-c3nnn(C4CCN(C#N)CC4)c3C)cn3ncc(C#N)c23)s1
• InChI: InChI=1S/C23H23N9OS/c1-14-10-26-23(34-14)16(3)33-20-8-17(12-31-22(20)18(9-24)11-27-31)21-15(2)32(29-28-21)19-4-6-30(13-25)7-5-19/h8,10-12,16,19H,4-7H2,1-3H3
• InChIKey: KVBVEVABXYRJFB-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 120.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.57
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920806) is 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1cnc(C(C)Oc2cc(-c3nnn(C4CCN(C#N)CC4)c3C)cn3ncc(C#N)c23)s1.

What is the InChIKey of 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is KVBVEVABXYRJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9OS/c1-14-10-26-23(34-14)16(3)33-20-8-17(12-31-22(20)18(9-24)11-27-31)21-15(2)32(29-28-21)19-4-6-30(13-25)7-5-19/h8,10-12,16,19H,4-7H2,1-3H3.

What are the key properties of 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 473.57 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).